PDB-5w6j: Agrobacterium tumefaciens ADP-glucose pyrophosphorylase

Basic information

• Entry: Database: PDB / ID: 5w6j
• Title: Agrobacterium tumefaciens ADP-glucose pyrophosphorylase
• Components: Glucose-1-phosphate adenylyltransferase
• Keywords: TRANSFERASE / Glucose-1-phosphate adenylyltransferase / glycogen biosynthesis / starch biosynthesis / allosterism

Function / homology

Function:

glucose-1-phosphate adenylyltransferase / glucose-1-phosphate adenylyltransferase activity / glycogen biosynthetic process / ATP binding

Domain/homology:

Glucose-1-phosphate adenylyltransferase GlgC, bacterial / ADP-glucose pyrophosphorylase, conserved site / Glucose-1-phosphate adenylyltransferase / ADP-glucose pyrophosphorylase signature 1. / ADP-glucose pyrophosphorylase signature 2. / ADP-glucose pyrophosphorylase signature 3. / : / GlmU-like, C-terminal hexapeptide / Nucleotidyl transferase domain / Nucleotidyl transferase / Hexapeptide repeat proteins / UDP N-Acetylglucosamine Acyltransferase; domain 1 / Trimeric LpxA-like superfamily / 3 Solenoid / Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A / Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A / Nucleotide-diphospho-sugar transferases / Alpha-Beta Complex / Mainly Beta / Alpha Beta

Component:

Glucose-1-phosphate adenylyltransferase

• Biological species: Rhizobium radiobacter (Agrobacterium genomosp. 4)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.78 Å
• Authors: Mascarenhas, R.N. / Hill, B.L. / Wu, R. / Ballicora, M.A. / Liu, D.

Funding support

United States, 1items

Organization	Grant number	Country
National Science Foundation (NSF, United States)	MCB1616851	United States

• Citation: Journal: J. Biol. Chem. / Year: 2019; Title: Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.; Authors: Hill, B.L. / Mascarenhas, R. / Patel, H.P. / Asencion Diez, M.D. / Wu, R. / Iglesias, A.A. / Liu, D. / Ballicora, M.A.

History

Deposition	Jun 16, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 14, 2018	Provider: repository / Type: Initial release
Revision 1.1	Nov 21, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.journal_abbrev / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2	Feb 20, 2019	Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Nov 27, 2019	Group: Author supporting evidence / Database references / Category: citation / pdbx_audit_support Item: _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _pdbx_audit_support.funding_organization
Revision 1.4	Mar 13, 2024	Group: Advisory / Data collection / Database references Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_unobs_or_zero_occ_atoms Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: Glucose-1-phosphate adenylyltransferase

B: Glucose-1-phosphate adenylyltransferase

C: Glucose-1-phosphate adenylyltransferase

D: Glucose-1-phosphate adenylyltransferase

E: Glucose-1-phosphate adenylyltransferase

H: Glucose-1-phosphate adenylyltransferase

I: Glucose-1-phosphate adenylyltransferase

J: Glucose-1-phosphate adenylyltransferase

K: Glucose-1-phosphate adenylyltransferase

L: Glucose-1-phosphate adenylyltransferase

N: Glucose-1-phosphate adenylyltransferase

O: Glucose-1-phosphate adenylyltransferase

P: Glucose-1-phosphate adenylyltransferase

Q: Glucose-1-phosphate adenylyltransferase

R: Glucose-1-phosphate adenylyltransferase

F: Glucose-1-phosphate adenylyltransferase

G: Glucose-1-phosphate adenylyltransferase

M: Glucose-1-phosphate adenylyltransferase

T: Glucose-1-phosphate adenylyltransferase

U: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• 946 kDa, 20 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	946,058	62
Polymers	942,023	20
Non-polymers	4,035	42
Water	201,696	11196

1

A: Glucose-1-phosphate adenylyltransferase

E: Glucose-1-phosphate adenylyltransferase

P: Glucose-1-phosphate adenylyltransferase

hetero molecules

O: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration
• 189 kDa, 4 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	189,269	13
Polymers	188,405	4
Non-polymers	865	9
Water	72	4

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_654	x+1,y,z-1	1

Calculated values:

Buried area	13930 Å2
ΔGint	-172 kcal/mol
Surface area	62950 Å2
Method	PISA

2

B: Glucose-1-phosphate adenylyltransferase

D: Glucose-1-phosphate adenylyltransferase

K: Glucose-1-phosphate adenylyltransferase

M: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• defined by author&software
• 189 kDa, 4 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	189,173	12
Polymers	188,405	4
Non-polymers	769	8
Water	72	4

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	14010 Å2
ΔGint	-165 kcal/mol
Surface area	61980 Å2
Method	PISA

3

C: Glucose-1-phosphate adenylyltransferase

H: Glucose-1-phosphate adenylyltransferase

I: Glucose-1-phosphate adenylyltransferase

G: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• defined by author&software
• 189 kDa, 4 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	189,173	12
Polymers	188,405	4
Non-polymers	769	8
Water	72	4

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	13900 Å2
ΔGint	-163 kcal/mol
Surface area	62760 Å2
Method	PISA

4

L: Glucose-1-phosphate adenylyltransferase

R: Glucose-1-phosphate adenylyltransferase

hetero molecules

J: Glucose-1-phosphate adenylyltransferase

hetero molecules

N: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• defined by author&software
• 189 kDa, 4 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	189,173	12
Polymers	188,405	4
Non-polymers	769	8
Water	72	4

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_564	x,y+1,z-1	1
crystal symmetry operation	1_664	x+1,y+1,z-1	1

Calculated values:

Buried area	14070 Å2
ΔGint	-164 kcal/mol
Surface area	62410 Å2
Method	PISA

5

Q: Glucose-1-phosphate adenylyltransferase

F: Glucose-1-phosphate adenylyltransferase

T: Glucose-1-phosphate adenylyltransferase

U: Glucose-1-phosphate adenylyltransferase

hetero molecules

Summary:

• defined by author&software
• 189 kDa, 4 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	189,269	13
Polymers	188,405	4
Non-polymers	865	9
Water	72	4

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	14280 Å2
ΔGint	-179 kcal/mol
Surface area	62800 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	93.439, 140.685, 228.490
Angle α, β, γ (deg.)	72.04, 78.19, 89.98
Int Tables number	1
Space group name H-M	P1

Components

#1: Protein

A B C D E H I J K L N O P Q R F G M T U
Glucose-1-phosphate adenylyltransferase / ADP-glucose pyrophosphorylase / ADPGlc PPase / ADP-glucose synthase

Details:

Mass: 47101.156 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rhizobium radiobacter (Agrobacterium genomosp. 4)
Gene: glgC / Production host: Escherichia coli K-12 (bacteria)
References: UniProt: P39669, glucose-1-phosphate adenylyltransferase

#2: Chemical

A-501 A-502 B-501 B-502 C-501 C-502 D-501 D-502 E-501 E-502 E-503 H-501 H-502 I-501 I-502 J-501 J-502 K-501 K-502 L-501 ...
ChemComp-SO4 / SULFATE ION

Details:

Mass: 96.063 Da / Num. of mol.: 42 / Source method: obtained synthetically / Formula: SO₄

#3: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 11196 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 1

Sample preparation

• Crystal: Density Matthews: 2.96 ų/Da / Density % sol: 58.51 %
• Crystal grow: Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: 50mM HEPES pH 7.5, 1.5M Li2SO4

Data collection

• Diffraction: Mean temperature: 80 K
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.98 Å
• Detector: Type: MARRESEARCH / Detector: CCD / Date: Apr 15, 2015
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.98 Å / Relative weight: 1
• Reflection twin: Operator: h,-k,h-l / Fraction: 0.45
• Reflection: Resolution: 1.78→50 Å / Num. obs: 1003131 / % possible obs: 97.3 % / Redundancy: 2 % / R_merge(I) obs: 0.049 / R_pim(I) all: 0.049 / R_rim(I) all: 0.067 / Χ²: 1.077 / Net I/σ(I): 8.2 / Num. measured all: 1967391

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	Rmerge(I) obs	CC1/2	Rpim(I) all	Χ2	% possible all	Rrim(I) all
1.78-1.81	2	0.729	0.561	0.729	1.047	96.1
1.81-1.84	2	0.612	0.628	0.612	1.072	96.2	0.866
1.84-1.88	2	0.495	0.754	0.495	1.072	96.4	0.701
1.88-1.92	2	0.398	0.811	0.398	1.092	96.5	0.562
1.92-1.96	2	0.311	0.876	0.311	1.078	96.6	0.44
1.96-2	2	0.255	0.901	0.255	1.087	96.8	0.361
2-2.05	2	0.205	0.941	0.205	1.116	97	0.29
2.05-2.11	2	0.169	0.956	0.169	1.121	97.1	0.239
2.11-2.17	2	0.14	0.972	0.14	1.159	97.2	0.198
2.17-2.24	2	0.115	0.978	0.115	1.12	97.4	0.162
2.24-2.32	2	0.093	0.988	0.093	1.129	97.6	0.132
2.32-2.42	2	0.082	0.989	0.082	1.134	97.7	0.117
2.42-2.53	2	0.07	0.991	0.07	1.122	97.9	0.1
2.53-2.66	2	0.062	0.992	0.062	1.063	98.1	0.088
2.66-2.83	2	0.052	0.994	0.052	1.068	98.2	0.074
2.83-3.04	2	0.044	0.995	0.044	1.017	98.3	0.062
3.04-3.35	2	0.038	0.996	0.038	1.055	98.3	0.054
3.35-3.83	1.9	0.034	0.996	0.034	0.978	98.3	0.048
3.83-4.83	1.9	0.027	0.997	0.027	1.045	97.7	0.038
4.83-50	2	0.023	0.998	0.023	0.961	95.8	0.032

Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
HKL-3000		data scaling
PDB_EXTRACT	3.22	data extraction
HKL-3000		data reduction
PHASER		phasing

Refinement

Resolution: 1.78→36.55 Å / Cross valid method: FREE R-VALUE / σ(F): 69.51 / Phase error: 25.69

	Rfactor	Num. reflection	% reflection
Rfree	0.229	2036	0.2 %
Rwork	0.2	-	-
obs	0.202	1003101	97 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
• Displacement parameters: B_iso mean: 33.58 Ų

Refinement step

Cycle: LAST / Resolution: 1.78→36.55 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	64436	0	210	11196	75842

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	66376
X-RAY DIFFRACTION	f_angle_d	0.763	90245
X-RAY DIFFRACTION	f_dihedral_angle_d	3.309	49898
X-RAY DIFFRACTION	f_chiral_restr	0.051	9832
X-RAY DIFFRACTION	f_plane_restr	0.005	11835

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.7831-1.8277	0.2944	140	0.3498	70155	X-RAY DIFFRACTION	95
1.8277-1.8771	0.3638	136	0.3263	70764	X-RAY DIFFRACTION	96
1.8771-1.9324	0.3684	144	0.2997	70814	X-RAY DIFFRACTION	96
1.9324-1.9947	0.2888	141	0.2789	71028	X-RAY DIFFRACTION	97
1.9947-2.066	0.2296	137	0.2524	71262	X-RAY DIFFRACTION	97
2.066-2.1487	0.2761	145	0.2453	71366	X-RAY DIFFRACTION	97
2.1487-2.2465	0.2592	145	0.2355	71525	X-RAY DIFFRACTION	97
2.2465-2.3649	0.2731	142	0.2258	71589	X-RAY DIFFRACTION	97
2.3649-2.513	0.2575	140	0.2258	72100	X-RAY DIFFRACTION	98
2.513-2.7069	0.2313	150	0.2138	71884	X-RAY DIFFRACTION	98
2.7069-2.9791	0.2091	139	0.1938	72187	X-RAY DIFFRACTION	98
2.9791-3.4096	0.1726	143	0.1688	72262	X-RAY DIFFRACTION	98
3.4096-4.2939	0.1953	144	0.1425	72140	X-RAY DIFFRACTION	98
4.2939-30.4235	0.2288	136	0.1832	70827	X-RAY DIFFRACTION	96

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.2939	-0.3527	-0.4189	2.878	1.0007	2.1472	0.1014	-0.1492	-0.058	0.4945	-0.0817	0.0077	-0.0201	-0.007	-0.038	0.4059	-0.0833	-0.0299	0.1216	0.0064	0.2311	-3.0458	8.8927	-28.4671
2	0.9092	0.6613	0.7659	1.8742	0.8455	1.2444	0.2123	-0.1617	-0.2222	0.5045	-0.0422	-0.4663	0.1228	0.0803	-0.1396	0.455	-0.0545	-0.1095	0.1934	0.0076	0.3328	10.2796	7.1073	-25.6081
3	1.6523	-0.23	0.0327	0.372	-1.2025	4.0558	0.1741	-0.6008	-0.259	0.7031	-0.1054	-0.1582	0.334	0.0925	-0.2208	0.7121	-0.1169	-0.2311	0.3629	0.0489	0.4492	11.3151	-1.8477	-16.6747
4	3.2953	-0.5566	0.3237	1.607	0.5339	2.6864	0.2389	-0.041	0.046	0.295	-0.0967	-0.3502	0.0999	0.1456	-0.1524	0.4361	-0.0772	-0.0864	0.1491	-0.0519	0.3408	13.3642	14.4935	-29.1308
5	1.1076	-0.1894	0.4431	1.1508	0.1601	0.6016	0.0359	-0.1484	0.2122	0.2672	0.0074	0.0544	-0.2736	-0.1495	-0.021	0.514	0.0129	0.128	0.1656	-0.009	0.2711	-13.4642	31.0319	-30.7002
6	0.9523	-0.312	-0.4081	1.9319	0.3296	1.3251	-0.0331	0.0903	0.0426	-0.4581	0.1282	-0.4372	-0.1293	0.1333	-0.1176	0.3637	-0.0091	0.1003	0.1591	-0.0517	0.3591	-41.13	64.8494	-19.1558
7	1.9865	0.6119	-0.6098	2.1024	0.0873	1.257	-0.0477	0.1136	-0.1323	-0.2167	0.164	-0.6797	0.0342	0.1549	-0.1014	0.3382	0.0222	0.0419	0.166	-0.0815	0.4295	-40.1426	55.0264	-15.7532
8	1.3595	0.3463	-0.3066	1.6315	0.4041	2.7988	-0.1509	0.2407	-0.1139	-0.4109	0.1374	-0.03	0.1719	-0.201	0.0644	0.4021	-0.0503	-0.0761	0.1714	-0.0234	0.2386	-63.5092	37.9665	-16.3572
9	1.7674	0.7796	0.4361	2.7889	0.896	1.3703	0.1243	0.1924	0.1226	-0.3874	-0.0026	0.0036	-0.1339	0.0166	-0.1295	0.381	0.0655	0.0589	0.1191	0.0135	0.2243	-51.5041	62.0842	67.504
10	1.023	-0.6572	-0.6063	1.3655	0.7071	1.2286	0.1955	0.1228	0.18	-0.4383	-0.0712	-0.3045	-0.1908	0.0646	-0.0969	0.4489	0.034	0.1409	0.1685	0.0203	0.3264	-38.3211	64.6383	63.9201
11	1.6095	-0.1565	0.7219	1.3877	-0.6672	2.1124	0.0495	0.3492	0.1593	-0.3893	0.0332	-0.204	-0.1214	0.2159	-0.0772	0.5184	0.0137	0.1865	0.2311	0.0231	0.3993	-34.9203	70.1872	56.9403
12	0.9832	0.1721	-0.3296	1.2255	0.0807	0.7432	0.0743	0.1481	-0.1567	-0.266	-0.0381	0.0646	0.0385	-0.0954	-0.0326	0.3179	0.0348	-0.0748	0.1305	-0.0174	0.2214	-58.5566	41.345	70.8076
13	2.1839	1.4401	-0.3058	4.5553	-1.1161	2.0735	-0.0492	0.1879	-0.0663	-0.3985	0.1675	0.0863	0.0499	0.0074	-0.0743	0.2393	0.0214	-0.0495	0.0915	0.0257	0.2252	-70.0337	79.6225	-16.8405
14	1.3477	-0.4921	0.4957	2.5928	-0.9424	1.1804	-0.0427	0.1552	-0.0199	-0.4226	0.0992	0.4092	0.1697	-0.0783	-0.089	0.3184	-0.006	-0.1015	0.1318	0.0335	0.3152	-79.1726	73.7156	-18.0298
15	1.0147	-0.3903	-0.2549	0.206	0.1829	0.547	0.1197	0.4714	-0.5199	-0.4332	-0.027	0.5158	0.182	-0.623	-0.3557	0.4052	0.1944	-0.4255	-0.1871	0.4636	0.6081	-95.0616	86.1966	-25.2305
16	1.6913	-0.1399	-0.2019	1.2004	-0.1572	1.7743	-0.0245	0.3849	-0.0617	-0.5773	0.1052	0.5087	0.1278	-0.2784	-0.1512	0.51	-0.042	-0.2202	0.2405	0.1038	0.5604	-87.1126	71.6989	-27.1463
17	2.1777	-0.0694	-0.7302	3.7529	-0.7532	0.4916	-0.0451	-0.142	0.2127	0.1244	0.293	0.5765	-0.1274	-0.1964	-0.2689	0.2488	0.0172	-0.0105	0.161	0.0445	0.2765	-75.6852	92.5673	-9.1125
18	1.5641	0.4178	0.0062	0.8476	-1.247	2.2931	0.0094	-0.0123	0.0718	0.0141	-0.0169	-0.0558	-0.178	0.1175	0.0528	0.2886	-0.0038	0.0571	0.1119	-0.0111	0.2035	-55.7052	104.1962	-2.6663
19	1.7797	1.5812	0.4926	1.5475	0.2093	0.6217	-0.0165	0.1339	0.0414	-0.1843	0.0642	-0.0798	-0.1405	0.1871	0.0106	0.3341	-0.0557	0.0941	0.164	0.0107	0.2183	-56.637	102.7455	-11.5007
20	2.0425	0.3661	-0.5305	4.0963	-1.7286	3.0283	0.006	0.2795	0.1757	-0.6347	0.1236	0.0353	-0.11	0.1292	-0.0888	0.4601	-0.0647	0.0658	0.2019	0.0507	0.2232	-57.8366	104.456	-24.1795
21	2.2032	-0.9187	0.3254	3.5571	-0.7959	1.809	0.1477	-0.1896	0.1583	0.419	-0.0031	0.0174	-0.0752	-0.0705	-0.1574	0.3595	-0.0531	0.0837	0.1196	0.0063	0.2338	-25.3675	-8.5713	-26.4305
22	1.0238	0.3985	-0.3382	1.1313	-0.4591	0.7725	0.1373	-0.1713	0.2087	0.4147	-0.0167	0.31	-0.1608	-0.0744	-0.13	0.4605	-0.024	0.139	0.189	-0.0043	0.3424	-36.5895	-4.4257	-21.4988
23	2.3092	0.4373	0.0055	2.9445	-0.6851	0.3107	0.0532	0.0192	-0.1021	0.0724	0.0535	0.2462	0.0119	-0.0584	-0.1341	0.2943	-0.0111	0.0154	0.0997	0.0035	0.1854	-28.9885	-21.7184	-33.7032
24	1.2071	0.0598	-0.3321	1.3491	-0.4589	2.7305	0.0646	-0.2226	-0.1916	0.3393	-0.0612	-0.188	0.0674	0.1267	0.0253	0.3501	-0.0116	-0.1243	0.1523	0.0484	0.2703	-10.2922	-32.4867	-28.2643
25	1.0452	-0.3343	0.2531	1.8936	-0.4104	0.8894	0.1548	0.1877	-0.1374	-0.4986	-0.0377	0.2772	0.0831	-0.0951	-0.1109	0.446	0.0662	-0.078	0.1694	0.0123	0.2704	-80.8121	77.5404	67.1416
26	4.3083	1.5469	-1.0422	2.8234	1.5128	2.904	0.0935	1.403	0.3586	-0.497	-0.1061	0.437	-0.4082	0.1389	-0.0992	0.8882	0.1061	-0.2139	0.5527	0.0419	0.463	-88.1788	71.452	53.2325
27	1.0244	0.4448	0.3449	1.5828	-0.065	0.696	0.0429	0.0892	0.1677	-0.2873	0.0256	0.0012	-0.2438	0.0447	-0.0464	0.4788	0.0301	0.1094	0.152	0.0322	0.262	-65.6674	99.2625	72.0258
28	2.1866	-1.7392	0.3857	4.4981	-1.2474	2.0496	-0.0625	-0.183	0.0157	0.2808	0.216	0.1601	-0.0489	-0.073	-0.2001	0.213	-0.0229	0.0478	0.1232	0.0438	0.2301	-71.6392	61.2964	100.6996
29	1.2506	0.2021	-0.4915	2.0653	-0.5691	0.9738	-0.0099	-0.0949	0.0384	0.2092	0.1026	0.2359	-0.1216	-0.0768	-0.116	0.2676	0.0089	0.0401	0.1359	0.0514	0.2434	-77.1238	67.2278	101.5033
30	1.3599	0.8569	-0.0251	1.6141	-0.4901	0.4444	0.0585	-0.3173	0.0893	0.389	0.074	0.3978	-0.177	-0.218	-0.1304	0.3769	0.0418	0.1326	0.2742	0.102	0.4461	-89.9817	63.3368	110.5176
31	0.9888	-0.7368	-0.3649	1.71	-0.1432	0.6928	-0.0436	-0.1894	-0.1895	0.1355	0.0866	0.1813	0.0782	0.0434	-0.0505	0.2376	-0.0004	-0.0357	0.1407	0.0381	0.2336	-62.6278	40.9883	96.4749
32	1.3358	0.3734	-0.2202	3.2995	-0.7216	1.1076	0.0539	0.1145	-0.0516	-0.1876	-0.0011	-0.115	0.0951	0.0472	-0.0427	0.2298	0.0401	-0.0308	0.1179	0.0076	0.1815	-22.9508	6.6625	111.5718
33	1.4756	0.7414	0.0423	3.9342	0.0269	2.773	-0.0608	0.2336	-0.188	-0.3401	0.1749	-0.0933	0.5034	0.2601	-0.1037	0.337	0.0694	-0.088	0.1741	0.0072	0.2477	-31.4677	0.2717	106.463
34	1.8612	-0.433	0.7284	2.4687	-0.6073	2.1217	0.1428	0.1451	-0.0762	-0.3007	0.003	0.3933	-0.0273	-0.2183	-0.186	0.2939	0.0488	-0.0845	0.2239	0.0635	0.3468	-46.5147	15.6466	101.6381
35	1.2018	0.361	-0.9572	1.7469	0.5306	2.8782	-0.023	0.3829	-0.0015	-0.4047	0.1418	0.2148	0.2048	-0.2954	-0.133	0.389	-0.004	-0.1268	0.2579	0.0352	0.3502	-40.034	0.8036	99.1133
36	1.4428	0.1635	-0.1137	2.1526	-0.4695	0.1894	0.0034	-0.0394	0.1662	0.0912	0.0955	0.2367	-0.025	-0.0734	-0.08	0.249	0.0291	-0.0014	0.1469	0.0279	0.2057	-29.1528	21.9225	117.0763
37	1.3595	0.9193	0.4914	1.5033	-0.8695	1.8912	-0.0096	0.1107	0.0681	-0.1	0.0039	-0.11	-0.0794	0.0823	0.0305	0.2295	0.0063	0.0684	0.111	0.0102	0.216	-9.575	32.8154	119.7029
38	2.7099	0.0657	0.0041	2.3625	0.6347	1.4466	0.0121	0.4322	0.3046	-0.3715	-0.0016	-0.1191	-0.161	0.2565	0.0505	0.3422	-0.0099	0.0718	0.2552	0.0831	0.2497	-10.7804	33.5301	102.4068
39	1.2449	-0.0625	0.0075	3.0069	-0.9083	1.679	0.0533	-0.0852	0.0417	0.5169	0.0229	0.1525	0.0209	-0.0622	-0.0996	0.3894	-0.019	0.0467	0.1151	0.013	0.2119	-70.5829	63.1665	13.1533
40	1.0045	-0.2684	-0.6337	1.7266	-0.761	1.4862	0.0042	-0.1365	0.0768	0.6176	0.1371	0.5203	-0.2328	-0.1725	-0.1954	0.5585	0.0087	0.2014	0.2106	0.0608	0.4447	-86.2209	64.251	20.1654
41	0.9332	-0.3189	-0.2224	1.7984	-0.0825	0.8002	-0.0052	-0.1129	-0.0969	0.4752	0.0832	0.1262	0.1871	0.0337	-0.0674	0.4762	-0	-0.0488	0.1359	0.0336	0.2236	-67.0085	43.7542	12.5503
42	1.4079	-0.3024	-0.2284	3.8154	-1.4149	1.8439	0.0491	-0.1633	-0.0962	0.3785	0.0095	0.0383	-0.0462	-0.02	-0.0448	0.3139	-0.0575	-0.0221	0.1147	0.0363	0.2278	-71.466	63.8735	-71.9726
43	1.3408	-0.1172	-0.0636	3.3069	0.3328	2.4189	-0.032	-0.1877	-0.0132	0.3108	0.1699	0.1588	-0.2982	-0.0898	-0.1583	0.3825	-0.0375	0.0658	0.2092	0.1087	0.2932	-83.0706	68.2365	-68.7096
44	1.6216	0.9569	-0.3421	1.6958	-0.3109	1.0818	0.2766	-0.2912	0.0452	0.7741	0.0025	0.7161	-0.0556	-0.2205	-0.328	0.5468	-0.0859	0.1276	0.3128	0.1483	0.5295	-94.2218	58.5443	-63.8918
45	2.6861	0.184	0.8967	1.2226	1.6928	4.0207	-0.0512	-0.5786	-0.0955	0.5149	0.1097	0.3954	-0.0517	-0.2442	-0.2614	0.6521	-0.0232	0.1309	0.3516	0.1791	0.4251	-90.8123	66.7305	-60.5438
46	1.3675	-0.0641	-0.6101	3.4271	-1.288	1.1163	0.0897	0.0432	-0.2772	-0.167	0.1147	0.4965	0.3265	-0.1919	-0.2223	0.3483	-0.0493	-0.0758	0.1546	0.0479	0.327	-76.3859	48.1163	-78.1068
47	3.6942	0.6045	-0.4942	0.6714	-1.1154	2.7635	-0.0773	-0.0938	-0.3852	-0.0946	0.08	0.1775	0.356	0.2797	0.0792	0.5276	0.0375	-0.1424	0.1573	0.0068	0.3482	-56.274	36.6294	-82.5882
48	3.364	-1.2601	-0.0894	0.5667	-0.2187	2.5643	-0.1165	-0.3521	-0.2946	0.2647	0.1303	-0.037	0.2868	0.2124	0.0574	0.5336	0.0401	-0.1768	0.1954	0.0697	0.3313	-58.1434	37.5534	-70.7281
49	1.307	0.3728	-1.7654	2.6058	-0.3348	2.4359	-0.0464	-0.8854	-0.4989	0.5179	0.0755	-0.2046	0.1968	0.1791	0.2024	0.6439	0.0064	-0.1328	0.3706	0.1874	0.4366	-61.3789	37.4398	-57.9722
50	2.9175	2.5133	0.0279	4.0074	-0.4337	0.4019	-0.2989	0.1682	0.1949	-0.8104	0.2439	0.2105	-0.3877	0.0808	0.0241	0.3447	0.1057	0.0428	0.165	-0.0319	0.2766	-91.336	-7.1567	109.8996
51	2.7774	1.2674	0.4817	4.5946	0.7536	0.9344	0.0885	0.3554	-0.1766	-0.2379	0.1572	-0.0178	0.0535	0.1061	-0.1138	0.2948	0.0686	-0.013	0.134	-0.0442	0.2352	-97.1145	-10.1287	112.0243
52	3.9139	1.1035	-0.5205	2.819	0.7014	1.5932	-0.0722	0.5931	0.0121	-0.6576	0.0683	0.0515	-0.1288	-0.0539	0.005	0.395	0.0716	-0.0336	0.1707	0.0071	0.2463	-100.8396	0.1914	109.8497
53	1.194	0.1631	0.1883	1.6648	-0.363	1.8051	0.0657	0.3021	-0.123	-0.4392	0.0736	-0.5084	0.0111	0.3808	-0.1551	0.4267	0.0638	0.0858	0.2852	-0.1166	0.4374	-78.6953	-7.2318	108.2623
54	0.2808	0.2405	0.6048	1.202	-0.0821	2.6328	0.0964	1.3951	-0.0103	-0.9538	-0.002	-0.4783	0.0916	0.2414	-0.1734	0.843	0.0762	0.2285	0.7532	-0.0828	0.4727	-79.1383	0.1052	96.8594
55	1.0262	0.9315	-0.0665	1.1721	0.3483	0.7441	0.1362	-0.0081	-0.2913	0.0371	0.0475	-0.4203	0.275	0.1442	-0.2031	0.3856	0.0849	-0.0696	0.1812	-0.0478	0.3662	-89.6388	-20.6629	118.3571
56	1.7932	0.4679	-0.399	0.8876	0.7087	2.4922	-0.1038	0.2345	-0.2207	-0.0954	0.1099	0.0844	0.3481	-0.2519	0.0464	0.4821	-0.0317	-0.1391	0.1842	-0.0333	0.3168	-110.9702	-33.0259	116.2356
57	3.5546	-1.3018	-1.4769	4.6291	-0.067	3.1288	-0.2154	0.4926	-0.4326	-0.4756	0.2565	0.1956	0.2176	-0.2243	-0.033	0.6019	-0.038	-0.1052	0.3316	-0.1377	0.3875	-107.166	-32.9073	98.9176
58	1.5319	2.1604	0.8359	4.1263	1.3426	1.6637	-0.101	0.1444	-0.0121	-0.267	0.2404	-0.1316	-0.0775	0.0997	-0.1657	0.2077	0.0216	0.0447	0.1272	-0.0282	0.2363	-49.9619	61.4096	152.3947
59	2.7018	0.3751	-0.8915	3.4134	0.5488	0.8496	-0.0781	0.3046	-0.0313	-0.3518	0.0811	0.0441	-0.0951	-0.0776	-0.0089	0.2561	0.0234	0.0168	0.1143	0.0038	0.2059	-55.4979	69.7451	152.4947
60	2.4977	-0.0756	1.2916	2.5178	1.3622	3.0628	-0.1985	0.2423	0.2366	-0.2334	0.179	-0.2276	-0.4679	0.096	-0.0245	0.3407	-0.0064	0.0717	0.1471	0.0039	0.2903	-44.3559	75.7117	148.4664
61	0.6931	-0.5648	-0.9931	1.1226	0.2582	1.9453	0.0424	0.1482	-0.0993	-0.0222	0.1253	-0.5037	0.011	0.1864	-0.1649	0.2232	0.0187	0.0415	0.204	-0.0741	0.4268	-33.7838	59.2521	151.8737
62	1.3903	0.0707	0.3532	0.9584	-0.679	0.8543	0.1857	0.2275	0.2443	-0.3255	-0.0811	-0.4509	-0.0593	0.3395	-0.1387	0.3724	0.0359	0.1435	0.3146	-0.1271	0.5329	-25.5109	55.1878	142.4565
63	1.3893	-0.7862	-0.0853	1.2217	0.7517	0.7681	-0.062	0.1241	-0.004	-0.2085	0.1321	-0.0992	-0.1936	0.078	-0.0738	0.3038	-0.036	0.0723	0.1922	-0.052	0.3128	-36.0936	69.8098	144.4752
64	2.8884	-0.8229	1.2233	1.473	-0.9859	1.5402	0.0865	0.4939	-0.0123	-0.455	0.0425	-0.3285	0.2202	0.324	-0.1383	0.4277	-0.0154	0.1228	0.2644	-0.1016	0.4291	-33.7295	65.9745	141.2285
65	0.7645	0.6697	0.0534	2.8241	0.8467	0.9094	0.0211	0.0263	-0.2472	0.1147	0.1582	-0.5335	0.0749	0.1375	-0.1868	0.225	0.0153	-0.0175	0.144	-0.0208	0.2991	-46.2832	48.5063	159.9893
66	1.2032	1.1227	-0.6173	1.6708	0.0494	2.2686	-0.0124	0.0838	-0.1263	-0.0385	0.0487	-0.0527	0.1034	-0.0472	-0.0164	0.2017	-0.0011	-0.06	0.1105	-0.0087	0.2146	-65.5643	37.741	162.6115
67	1.6843	0.4937	-0.1026	4.4679	0.7969	2.5846	-0.168	0.3606	-0.1919	-0.5401	0.2721	-0.084	0.1688	-0.2151	-0.0804	0.3289	-0.0638	-0.0356	0.2365	-0.0496	0.2349	-64.3218	36.9954	145.236
68	2.7219	1.6681	-0.6405	4.3736	-0.2747	1.0738	-0.1241	0.2367	0.148	-0.3841	0.2442	0.2289	-0.0505	-0.0796	-0.1164	0.2878	0.0407	-0.0473	0.1239	0.0722	0.2721	-27.0868	9.1325	-58.968
69	1.6807	-0.0317	0.4699	2.4618	-0.9655	1.1215	-0.0733	0.1659	0.0013	-0.2964	0.1837	0.3521	0.1924	-0.1276	-0.1341	0.3345	0.0088	-0.028	0.1547	0.0662	0.2857	-31.7113	1.8401	-58.453
70	0.2037	-0.3585	0.2027	1.5214	-1.0983	0.9857	-0.1971	0.3733	0.1929	-0.6655	0.2983	0.85	0.1259	-0.2766	-0.0631	0.4954	-0.0513	-0.2076	0.323	0.2144	0.7481	-45.6512	8.7603	-67.803
71	2.2474	1.3312	0.2598	3.5142	0.0268	0.563	-0.0784	0.0218	0.2507	-0.067	0.2087	0.6072	-0.1453	-0.1522	-0.1275	0.3269	0.0753	0.0089	0.2001	0.1257	0.4084	-36.5066	18.8533	-55.4584
72	0.9601	0.6585	0.5442	1.912	-0.4321	1.194	-0.14	0.2561	0.1611	-0.2331	0.1249	0.0826	-0.277	0.2602	0.0462	0.4189	-0.0189	0.0845	0.2124	0.0598	0.2773	-12.3949	31.5891	-57.9917
73	1.5176	0.9838	-0.3055	3.6687	-0.9218	1.6404	0.0727	0.1038	-0.092	-0.662	0.0726	0.2002	0.0994	-0.0795	-0.1692	0.4502	0.0548	-0.1075	0.1088	0.028	0.2796	-26.3858	8.8108	25.1398
74	0.7139	0.0994	0.2777	1.9487	-0.5391	0.9065	0.0811	0.0788	-0.0986	-0.6174	0.0138	0.3802	0.2752	-0.0802	-0.0804	0.5058	0.0294	-0.146	0.1543	0.0258	0.3146	-31.936	3.1069	24.7334
75	0.3999	-0.2971	-0.1979	1.5909	-0.7183	0.8473	0.1457	0.1986	-0.2358	-0.5963	-0.04	0.5324	0.3198	-0.3606	-0.2525	0.7974	0.0401	-0.3943	0.0882	0.0655	0.5885	-44.4019	6.3705	14.9907
76	1.2167	0.3108	0.5937	1.5279	-0.0542	0.6601	0.008	-0.008	0.0517	-0.2792	0.073	0.3177	-0.0491	-0.0626	0.0065	0.3524	0.0416	-0.0123	0.1389	0.0494	0.2516	-28.3591	22.0266	31.9085
77	1.462	0.5678	0.0749	0.8669	-0.1449	1.6383	0.043	0.2716	0.1385	-0.4771	-0.0325	-0.0984	0.0218	0.1505	0.025	0.4926	0.0265	0.1234	0.1876	0.0462	0.2609	-11.8704	32.3544	23.7611
78	2.017	-1.3486	-0.3426	3.6052	0.4333	1.7604	0.0501	-0.191	-0.0581	0.1663	0.0943	0.0376	-0.052	0.0026	-0.1176	0.2095	-0.0514	-0.0357	0.1144	0.0046	0.2	-50.0835	79.3715	-68.8825
79	0.3359	0.0544	0.7936	7.4805	3.5473	3.5446	-0.0317	-0.0266	-0.1377	-0.0685	-0.1505	0.4143	0.0293	-0.1793	0.1854	0.2253	-0.0401	-0.0252	0.0938	0.0155	0.1896	-56.7673	71.6783	-75.8024
80	1.5905	0.4688	0.123	3.1426	0.3457	1.7936	0.0915	-0.1967	-0.0917	0.2688	0.0041	-0.1108	0.2296	0.0157	-0.0937	0.2587	-0.0149	-0.0792	0.1477	-0.0001	0.2098	-40.6565	74.4129	-65.6321
81	1.8573	-0.6878	-0.1145	3.945	0.7057	3.2536	0.1936	-0.3098	-0.2368	0.3643	0.1361	-0.6163	0.1802	0.3724	-0.4141	0.341	-0.0527	-0.127	0.2528	-0.0572	0.3909	-25.4218	85.63	-58.7936
82	0.9345	-0.4158	0.1208	2.0106	1.0441	2.1379	0.0712	-0.4318	-0.2416	0.736	0.0331	-0.1951	0.5815	-0.0494	-0.1262	0.4835	-0.0121	-0.1384	0.2564	0.0295	0.3818	-35.6582	71.6065	-57.1689
83	7.206	-3.5168	0.6943	6.1934	0.9107	1.1525	0.1575	0.2316	0.3355	-0.3918	-0.0437	-0.3373	0.0316	0.1457	-0.137	0.222	-0.023	-0.0033	0.132	-0.0316	0.2499	-36.693	88.7164	-73.4218
84	1.5719	0.2129	0.0574	2.2826	0.5804	0.0932	0.0552	0.0489	0.123	-0.1349	0.0519	-0.1388	-0.0518	-0.0372	-0.1213	0.2437	-0.0222	0.0014	0.1077	0.0052	0.191	-49.6092	92.6441	-77.0735
85	2.6052	0.5605	0.167	1.348	1.369	2.6908	-0.0056	0.0399	0.2394	-0.0181	-0.0235	0.0765	-0.2495	-0.1817	0.0453	0.2295	0.0227	0.0445	0.0967	0.0139	0.2066	-65.8205	103.9007	-83.164
86	2.6526	-1.7522	-0.0812	1.9287	0.3255	1.5042	0.0343	-0.2763	0.1023	0.1281	0.0035	0.1796	-0.051	-0.1094	-0.0232	0.2551	0.0182	0.0842	0.1371	-0.0057	0.2192	-65.1863	102.2975	-74.3316
87	3.644	0.1726	0.1092	1.9836	-0.7094	1.2365	0.0043	-0.3478	0.3051	0.1849	-0.0183	0.125	-0.1076	-0.0833	0.0571	0.2846	0.0168	0.0594	0.1889	-0.0362	0.2031	-65.3932	104.2905	-66.2804
88	1.3727	0.2474	-1.9417	4.22	0.805	3.1694	0.3039	-0.6836	0.4226	0.4897	-0.3188	0.2721	-0.0446	-0.3237	0.0984	0.4005	0.0195	0.0583	0.3734	-0.0945	0.2868	-63.5366	103.1894	-58.1826
89	2.3049	-1.4876	-0.3297	5.1626	0.608	1.6143	-0.0412	-0.1547	0.0458	0.5131	0.1807	-0.2011	0.0381	0.0155	-0.1597	0.2606	-0.0276	-0.0774	0.1134	-0.0115	0.2331	-3.35	9.8015	57.784
90	1.273	0.469	0.4788	1.5022	0.5492	0.95	-0.0153	-0.1138	0.0058	0.3822	0.1199	-0.4363	0.1365	0.13	-0.1032	0.3659	0.0287	-0.122	0.1642	-0.0486	0.3871	7.4251	5.7642	61.1863
91	3.4061	0.9972	-0.3644	2.6722	-1.5849	1.821	0.0129	-0.5146	-0.3153	0.671	-0.0628	-0.681	-0.2881	0.1571	0.0294	0.5185	0.0273	-0.1938	0.2485	-0.1043	0.5349	13.4038	4.8909	69.1299
92	1.7569	-0.1444	0.1994	4.3682	0.7935	0.3469	-0.0497	0.0845	0.1765	-0.0545	0.1871	-0.7001	-0.0899	0.1116	-0.1659	0.2563	-0.0067	-0.0045	0.148	-0.0213	0.2968	0.5903	22.3022	49.9697
93	1.0907	-0.1022	0.3534	1.5837	0.111	1.7814	-0.0896	-0.1743	0.0953	0.3396	0.0902	0.0363	-0.1804	-0.1824	0.0282	0.3477	0.0597	0.0792	0.1541	-0.014	0.2293	-18.1828	33.5926	55.3591
94	0.8356	-0.6126	-0.0565	3.7851	1.1539	1.5812	-0.0695	-0.1193	0.0932	0.2496	0.1171	-0.2177	-0.0045	0.0078	-0.0433	0.2642	-0.0342	-0.0096	0.116	-0.0223	0.2314	-49.9188	77.4553	98.1119
95	1.1908	0.579	0.3111	3.2875	0.2832	2.08	-0.0875	-0.1281	0.0537	0.2459	0.2624	-0.3896	0.2261	0.1615	-0.1712	0.3183	0.0191	-0.0716	0.1966	-0.0992	0.3393	-38.3296	74.5667	101.8725
96	1.1248	0.2266	0.6188	0.4696	0.4538	1.0216	0.0392	0.0137	-0.0825	0.3956	0.222	-0.8558	0.001	0.3347	-0.2844	0.4932	-0.0297	-0.1872	0.3414	-0.2111	0.7811	-24.3309	85.8186	106.4455
97	0.9191	-0.3519	0.0563	1.4574	-0.0308	2.7763	-0.2522	-0.3116	0.1366	0.4684	0.3368	-0.5698	0.1609	0.2975	-0.1	0.4884	0.1025	-0.1779	0.3189	-0.1641	0.5272	-31.7885	71.0725	108.5633
98	1.474	-0.7823	0.2333	3.0008	0.6278	0.388	-0.0957	0.103	0.2048	-0.1786	0.2508	-0.6307	-0.2608	0.19	-0.1647	0.3318	-0.0623	0.0566	0.1964	-0.0714	0.3402	-44.8656	92.6063	92.3503
99	1.7489	-0.6307	0.4033	0.9917	0.5836	2.1958	-0.113	-0.2112	0.1784	0.076	0.1207	-0.0469	-0.3296	-0.2215	0.0367	0.4443	0.0427	0.1043	0.1774	-0.0247	0.2685	-64.1421	103.525	95.1585
100	1.9398	0.4563	-0.599	5.3544	1.7706	3.4185	-0.0567	-0.8949	0.5017	0.9568	0.0514	0.1258	-0.2198	-0.3415	-0.0439	0.6451	0.1583	0.0213	0.3473	-0.1543	0.345	-60.4166	103.0143	112.3593
101	1.0542	-0.4372	-0.3678	2.7106	0.4631	1.5254	0.12	0.0008	-0.1038	0.6007	0.0343	-0.2401	0.0438	-0.0058	-0.1264	0.4647	-0.0443	-0.1213	0.0949	-0.0084	0.2866	-48.0912	79.2249	14.8737
102	1.1222	0.2422	0.4459	2.0463	0.545	1.1861	0.1051	-0.0968	-0.1156	0.627	0.0129	-0.3458	0.2247	0.0865	-0.1283	0.5122	-0.0179	-0.1374	0.1386	-0.0018	0.3035	-43.6378	73.7148	16.4932
103	0.5004	-0.7085	-0.2906	2.3469	1.4243	2.8061	0.2467	-0.2372	-0.3229	0.3862	0.2409	-0.7359	0.235	0.3456	-0.5462	0.6795	-0.0641	-0.3272	0.2992	-0.0458	0.6541	-24.1942	85.1615	25.4626
104	0.5035	-0.0459	-0.7485	0.9661	-0.0381	1.1197	-0.0277	-0.4565	-0.1508	0.4372	0.0345	-0.3559	0.2559	0.4219	-0.1099	0.7772	0.0308	-0.4161	0.0755	-0.0207	0.5994	-33.691	70.9325	26.5359
105	4.7568	-3.5146	0.1746	3.2285	-0.299	0.7632	0.121	0.2322	0.1352	0.2743	-0.0308	-0.5575	-0.1067	0.1386	-0.1354	0.355	-0.0577	-0.0858	0.1562	-0.0666	0.3592	-40.1362	91.8955	12.4986
106	0.858	-0.18	0.6033	1.7924	0.0608	0.4819	0.0365	-0.0139	0.059	0.2092	-0.0035	0.038	-0.1248	-0.0287	-0.0625	0.3032	-0.0086	0.053	0.116	0.0001	0.1916	-58.3911	97.9389	3.1007
107	1.0618	-0.4923	0.054	1.491	0.1422	1.0154	0.1206	-0.3152	0.1342	0.6136	-0.0799	0.1199	-0.0526	-0.1631	-0.0146	0.5553	-0.0002	0.1438	0.2224	-0.0338	0.2654	-63.395	102.6372	19.3787
108	1.4704	-0.9366	0.0906	3.7865	-0.5603	1.4303	-0.0773	-0.1254	0.0018	0.5037	0.1902	0.3654	-0.0614	-0.0692	-0.1485	0.3199	-0.0111	0.0725	0.1175	0.0495	0.2855	-26.8123	-8.5505	57.7792
109	3.1257	-0.2954	-2.0374	2.272	-1.0674	1.9095	-0.0421	-0.4289	0.0364	0.6285	0.0513	0.0743	-0.3361	0.235	-0.0517	0.3935	-0.0297	0.0061	0.139	-0.0049	0.2362	-21.3182	0.6033	58.6301
110	1.0016	0.0911	-0.0093	1.1614	-0.2045	1.6276	-0.0423	-0.0849	0.0743	0.4496	0.2092	0.8151	-0.1551	-0.3035	-0.1807	0.4471	0.0416	0.2099	0.2441	0.1403	0.6424	-43.022	-5.4722	62.9455
111	1.6643	-0.4899	-0.476	3.8267	-0.9851	1.0927	-0.0067	0.1066	-0.2486	-0.1159	0.172	0.7041	0.2334	-0.2093	-0.1911	0.2891	-0.0341	-0.0362	0.1535	0.0473	0.3297	-30.0015	-21.6892	50.5837
112	2.0342	-0.5198	-0.3108	1.1114	-0.4636	2.9433	-0.1271	-0.1892	-0.088	0.2618	0.0779	-0.0766	0.2641	0.1946	0.0855	0.3586	0.0348	-0.0876	0.1393	0.0138	0.2223	-10.7057	-32.5861	52.7687
113	3.5384	2.3913	-0.9702	4.9478	-2.0668	2.5359	0.1153	-0.5669	-0.3377	0.6084	-0.1637	-0.2228	0.1573	0.259	-0.0429	0.6611	0.1097	-0.0342	0.3303	0.0819	0.2742	-13.9192	-31.9671	70.1655
114	2.2256	1.5157	1.2245	3.6579	0.942	1.7955	0.0054	0.134	0.0165	-0.4486	0.1337	-0.208	0.0413	0.13	-0.1476	0.378	0.0438	0.0787	0.1137	-0.0069	0.2456	-2.073	-10.78	26.6498
115	1.8924	0.0051	-0.5855	2.2915	0.7687	1.0111	0.0032	0.1854	0.1166	-0.6118	0.0711	-0.2195	-0.2125	0.0635	-0.0703	0.4645	0.0173	0.0983	0.1389	0.008	0.2765	1.1023	-1.9549	25.1269
116	2.8601	-0.0886	0.063	2.1234	0.4981	2.5103	0.1633	0.3386	0.0522	-0.4031	0.0887	-0.4891	0.0208	0.2946	-0.3769	0.5128	0.0396	0.2129	0.2965	-0.1028	0.5787	19.8015	-17.1486	18.18
117	1.0913	0.1225	-0.3358	1.4182	0.5057	2.9742	-0.1084	0.2905	0.0697	-0.7528	0.1635	-0.6122	-0.1824	0.3209	-0.094	0.6031	-0.0539	0.237	0.2822	-0.0735	0.5242	13.4054	-1.549	16.7538
118	1.744	-0.4836	-0.3855	3.9182	0.1099	0.5819	-0.002	-0.0202	-0.1339	-0.1738	0.0487	-0.5427	0.1157	0.0834	-0.05	0.3101	0.0107	0.0063	0.1233	-0.0145	0.2618	0.7043	-22.1956	34.0128
119	0.9929	0.5308	-0.1464	0.5849	0.5042	2.2346	-0.045	0.0621	-0.1071	-0.3199	0.0842	0.1468	0.2413	-0.19	0.0104	0.4794	-0.0361	-0.1453	0.1354	0.0139	0.2714	-18.3692	-33.2629	32.324
120	3.3421	-0.769	-1.8144	3.158	1.6415	3.3148	0.067	0.6602	-0.1878	-0.9668	0.0688	0.1726	0.1637	-0.381	0.0424	0.8484	-0.0646	-0.1304	0.2536	-0.066	0.2607	-15.1511	-33.4048	14.847

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 4 THROUGH 81 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 82 THROUGH 209 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 210 THROUGH 237 )
4	X-RAY DIFFRACTION	4	CHAIN 'A' AND (RESID 238 THROUGH 273 )
5	X-RAY DIFFRACTION	5	CHAIN 'A' AND (RESID 274 THROUGH 421 )
6	X-RAY DIFFRACTION	6	CHAIN 'B' AND (RESID 7 THROUGH 226 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 227 THROUGH 305 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 306 THROUGH 421 )
9	X-RAY DIFFRACTION	9	CHAIN 'C' AND (RESID 7 THROUGH 81 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 82 THROUGH 209 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 210 THROUGH 256 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 257 THROUGH 421 )
13	X-RAY DIFFRACTION	13	CHAIN 'D' AND (RESID 7 THROUGH 81 )
14	X-RAY DIFFRACTION	14	CHAIN 'D' AND (RESID 82 THROUGH 172 )
15	X-RAY DIFFRACTION	15	CHAIN 'D' AND (RESID 173 THROUGH 209 )
16	X-RAY DIFFRACTION	16	CHAIN 'D' AND (RESID 210 THROUGH 255 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 256 THROUGH 305 )
18	X-RAY DIFFRACTION	18	CHAIN 'D' AND (RESID 306 THROUGH 340 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 341 THROUGH 371 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 372 THROUGH 421 )
21	X-RAY DIFFRACTION	21	CHAIN 'E' AND (RESID 7 THROUGH 71 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 72 THROUGH 256 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 257 THROUGH 305 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 306 THROUGH 421 )
25	X-RAY DIFFRACTION	25	CHAIN 'H' AND (RESID 7 THROUGH 221 )
26	X-RAY DIFFRACTION	26	CHAIN 'H' AND (RESID 222 THROUGH 245 )
27	X-RAY DIFFRACTION	27	CHAIN 'H' AND (RESID 246 THROUGH 421 )
28	X-RAY DIFFRACTION	28	CHAIN 'I' AND (RESID 7 THROUGH 71 )
29	X-RAY DIFFRACTION	29	CHAIN 'I' AND (RESID 72 THROUGH 171 )
30	X-RAY DIFFRACTION	30	CHAIN 'I' AND (RESID 172 THROUGH 256 )
31	X-RAY DIFFRACTION	31	CHAIN 'I' AND (RESID 257 THROUGH 421 )
32	X-RAY DIFFRACTION	32	CHAIN 'J' AND (RESID 7 THROUGH 96 )
33	X-RAY DIFFRACTION	33	CHAIN 'J' AND (RESID 97 THROUGH 153 )
34	X-RAY DIFFRACTION	34	CHAIN 'J' AND (RESID 154 THROUGH 209 )
35	X-RAY DIFFRACTION	35	CHAIN 'J' AND (RESID 210 THROUGH 255 )
36	X-RAY DIFFRACTION	36	CHAIN 'J' AND (RESID 256 THROUGH 305 )
37	X-RAY DIFFRACTION	37	CHAIN 'J' AND (RESID 306 THROUGH 371 )
38	X-RAY DIFFRACTION	38	CHAIN 'J' AND (RESID 372 THROUGH 421 )
39	X-RAY DIFFRACTION	39	CHAIN 'K' AND (RESID 7 THROUGH 91 )
40	X-RAY DIFFRACTION	40	CHAIN 'K' AND (RESID 92 THROUGH 231 )
41	X-RAY DIFFRACTION	41	CHAIN 'K' AND (RESID 232 THROUGH 421 )
42	X-RAY DIFFRACTION	42	CHAIN 'L' AND (RESID 7 THROUGH 96 )
43	X-RAY DIFFRACTION	43	CHAIN 'L' AND (RESID 97 THROUGH 164 )
44	X-RAY DIFFRACTION	44	CHAIN 'L' AND (RESID 165 THROUGH 222 )
45	X-RAY DIFFRACTION	45	CHAIN 'L' AND (RESID 223 THROUGH 256 )
46	X-RAY DIFFRACTION	46	CHAIN 'L' AND (RESID 257 THROUGH 305 )
47	X-RAY DIFFRACTION	47	CHAIN 'L' AND (RESID 306 THROUGH 340 )
48	X-RAY DIFFRACTION	48	CHAIN 'L' AND (RESID 341 THROUGH 393 )
49	X-RAY DIFFRACTION	49	CHAIN 'L' AND (RESID 394 THROUGH 421 )
50	X-RAY DIFFRACTION	50	CHAIN 'N' AND (RESID 7 THROUGH 31 )
51	X-RAY DIFFRACTION	51	CHAIN 'N' AND (RESID 32 THROUGH 71 )
52	X-RAY DIFFRACTION	52	CHAIN 'N' AND (RESID 72 THROUGH 111 )
53	X-RAY DIFFRACTION	53	CHAIN 'N' AND (RESID 112 THROUGH 220 )
54	X-RAY DIFFRACTION	54	CHAIN 'N' AND (RESID 221 THROUGH 247 )
55	X-RAY DIFFRACTION	55	CHAIN 'N' AND (RESID 248 THROUGH 305 )
56	X-RAY DIFFRACTION	56	CHAIN 'N' AND (RESID 306 THROUGH 393 )
57	X-RAY DIFFRACTION	57	CHAIN 'N' AND (RESID 394 THROUGH 421 )
58	X-RAY DIFFRACTION	58	CHAIN 'O' AND (RESID 7 THROUGH 71 )
59	X-RAY DIFFRACTION	59	CHAIN 'O' AND (RESID 72 THROUGH 111 )
60	X-RAY DIFFRACTION	60	CHAIN 'O' AND (RESID 112 THROUGH 134 )
61	X-RAY DIFFRACTION	61	CHAIN 'O' AND (RESID 135 THROUGH 172 )
62	X-RAY DIFFRACTION	62	CHAIN 'O' AND (RESID 173 THROUGH 201 )
63	X-RAY DIFFRACTION	63	CHAIN 'O' AND (RESID 202 THROUGH 226 )
64	X-RAY DIFFRACTION	64	CHAIN 'O' AND (RESID 227 THROUGH 256 )
65	X-RAY DIFFRACTION	65	CHAIN 'O' AND (RESID 257 THROUGH 305 )
66	X-RAY DIFFRACTION	66	CHAIN 'O' AND (RESID 306 THROUGH 371 )
67	X-RAY DIFFRACTION	67	CHAIN 'O' AND (RESID 372 THROUGH 421 )
68	X-RAY DIFFRACTION	68	CHAIN 'P' AND (RESID 7 THROUGH 71 )
69	X-RAY DIFFRACTION	69	CHAIN 'P' AND (RESID 72 THROUGH 165 )
70	X-RAY DIFFRACTION	70	CHAIN 'P' AND (RESID 166 THROUGH 237 )
71	X-RAY DIFFRACTION	71	CHAIN 'P' AND (RESID 238 THROUGH 298 )
72	X-RAY DIFFRACTION	72	CHAIN 'P' AND (RESID 299 THROUGH 421 )
73	X-RAY DIFFRACTION	73	CHAIN 'Q' AND (RESID 7 THROUGH 71 )
74	X-RAY DIFFRACTION	74	CHAIN 'Q' AND (RESID 72 THROUGH 172 )
75	X-RAY DIFFRACTION	75	CHAIN 'Q' AND (RESID 173 THROUGH 241 )
76	X-RAY DIFFRACTION	76	CHAIN 'Q' AND (RESID 242 THROUGH 321 )
77	X-RAY DIFFRACTION	77	CHAIN 'Q' AND (RESID 322 THROUGH 421 )
78	X-RAY DIFFRACTION	78	CHAIN 'R' AND (RESID 7 THROUGH 71 )
79	X-RAY DIFFRACTION	79	CHAIN 'R' AND (RESID 72 THROUGH 91 )
80	X-RAY DIFFRACTION	80	CHAIN 'R' AND (RESID 92 THROUGH 172 )
81	X-RAY DIFFRACTION	81	CHAIN 'R' AND (RESID 173 THROUGH 201 )
82	X-RAY DIFFRACTION	82	CHAIN 'R' AND (RESID 202 THROUGH 247 )
83	X-RAY DIFFRACTION	83	CHAIN 'R' AND (RESID 248 THROUGH 273 )
84	X-RAY DIFFRACTION	84	CHAIN 'R' AND (RESID 274 THROUGH 305 )
85	X-RAY DIFFRACTION	85	CHAIN 'R' AND (RESID 306 THROUGH 340 )
86	X-RAY DIFFRACTION	86	CHAIN 'R' AND (RESID 341 THROUGH 371 )
87	X-RAY DIFFRACTION	87	CHAIN 'R' AND (RESID 372 THROUGH 393 )
88	X-RAY DIFFRACTION	88	CHAIN 'R' AND (RESID 394 THROUGH 421 )
89	X-RAY DIFFRACTION	89	CHAIN 'F' AND (RESID 7 THROUGH 71 )
90	X-RAY DIFFRACTION	90	CHAIN 'F' AND (RESID 72 THROUGH 225 )
91	X-RAY DIFFRACTION	91	CHAIN 'F' AND (RESID 226 THROUGH 255 )
92	X-RAY DIFFRACTION	92	CHAIN 'F' AND (RESID 256 THROUGH 305 )
93	X-RAY DIFFRACTION	93	CHAIN 'F' AND (RESID 306 THROUGH 421 )
94	X-RAY DIFFRACTION	94	CHAIN 'G' AND (RESID 6 THROUGH 91 )
95	X-RAY DIFFRACTION	95	CHAIN 'G' AND (RESID 92 THROUGH 172 )
96	X-RAY DIFFRACTION	96	CHAIN 'G' AND (RESID 173 THROUGH 209 )
97	X-RAY DIFFRACTION	97	CHAIN 'G' AND (RESID 210 THROUGH 255 )
98	X-RAY DIFFRACTION	98	CHAIN 'G' AND (RESID 256 THROUGH 305 )
99	X-RAY DIFFRACTION	99	CHAIN 'G' AND (RESID 306 THROUGH 393 )
100	X-RAY DIFFRACTION	100	CHAIN 'G' AND (RESID 394 THROUGH 421 )
101	X-RAY DIFFRACTION	101	CHAIN 'M' AND (RESID 6 THROUGH 67 )
102	X-RAY DIFFRACTION	102	CHAIN 'M' AND (RESID 68 THROUGH 172 )
103	X-RAY DIFFRACTION	103	CHAIN 'M' AND (RESID 173 THROUGH 201 )
104	X-RAY DIFFRACTION	104	CHAIN 'M' AND (RESID 202 THROUGH 247 )
105	X-RAY DIFFRACTION	105	CHAIN 'M' AND (RESID 248 THROUGH 285 )
106	X-RAY DIFFRACTION	106	CHAIN 'M' AND (RESID 286 THROUGH 340 )
107	X-RAY DIFFRACTION	107	CHAIN 'M' AND (RESID 341 THROUGH 421 )
108	X-RAY DIFFRACTION	108	CHAIN 'T' AND (RESID 7 THROUGH 71 )
109	X-RAY DIFFRACTION	109	CHAIN 'T' AND (RESID 72 THROUGH 112 )
110	X-RAY DIFFRACTION	110	CHAIN 'T' AND (RESID 113 THROUGH 255 )
111	X-RAY DIFFRACTION	111	CHAIN 'T' AND (RESID 256 THROUGH 305 )
112	X-RAY DIFFRACTION	112	CHAIN 'T' AND (RESID 306 THROUGH 393 )
113	X-RAY DIFFRACTION	113	CHAIN 'T' AND (RESID 394 THROUGH 421 )
114	X-RAY DIFFRACTION	114	CHAIN 'U' AND (RESID 7 THROUGH 58 )
115	X-RAY DIFFRACTION	115	CHAIN 'U' AND (RESID 59 THROUGH 165 )
116	X-RAY DIFFRACTION	116	CHAIN 'U' AND (RESID 166 THROUGH 209 )
117	X-RAY DIFFRACTION	117	CHAIN 'U' AND (RESID 210 THROUGH 256 )
118	X-RAY DIFFRACTION	118	CHAIN 'U' AND (RESID 257 THROUGH 305 )
119	X-RAY DIFFRACTION	119	CHAIN 'U' AND (RESID 306 THROUGH 393 )
120	X-RAY DIFFRACTION	120	CHAIN 'U' AND (RESID 394 THROUGH 421 )